Compound Identification
SMILES
COC1=CC=CC2=C1OC(=O)C(CSC1=NC3=CC(Cl)=C(Cl)C=C3N1[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)=C2
InChIKey
InChIKey=WGDAGSUUOOXCHC-LXRLAABLSA-N
Formula
C32H30Cl2N2O12S
Mass
737.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Nucleosides, nucleotides, and analogues
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Class
Nucleoside and nucleotide analogues
- Subclass 1-pyranosylbenzimidazoles
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Class
Nucleoside and nucleotide analogues
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Superclass
Nucleosides, nucleotides, and analogues
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Nucleoside and nucleotide analogues
Subclass
1-pyranosylbenzimidazoles
Intermediate Tree Nodes
Not available
Direct Parent
1-pyranosylbenzimidazoles
Alternative Parents
Tetracarboxylic acids and derivatives Glycosylamines Coumarins and derivatives 1-benzopyrans Benzimidazoles Anisoles Pyranones and derivatives Alkylarylthioethers Alkyl aryl ethers Oxanes N-substituted imidazoles Monosaccharides Aryl chlorides Heteroaromatic compounds Lactones Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-pyranosylbenzimidazole - Tetracarboxylic acid or derivatives - N-glycosyl compound - Glycosyl compound - Coumarin - 1-benzopyran - Benzopyran - Benzimidazole - Aryl thioether - Anisole - Alkylarylthioether - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Oxane - N-substituted imidazole - Monosaccharide - Aryl halide - Aryl chloride - Heteroaromatic compound - Imidazole - Azole - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-pyranosylbenzimidazoles. These are nucleoside and nucleotide analogs with a structure that consists of a Benzimidazole which is N-substituted at the 1-position with a pyranose moiety. Nucleotide analogues contain a phosphate group linked to the C5 carbon atom of the pyranose.
External Descriptors
Not available